ChemSpider 2D Image | (1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-ethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) | C23H27ClO7

(1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-ethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name)

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID76795807

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2S,3R,4R,5S)-5-[4-Chlor-3-(4-ethoxybenzyl)phenyl]-1-ethoxy-6,8-dioxabicyclo[3.2.1]octan-2,3,4-triol (non-preferred name) [German] [ACD/IUPAC Name]
(1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1-ethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) [ACD/IUPAC Name]
(1S,2S,3R,4R,5S)-5-[4-Chloro-3-(4-éthoxybenzyl)phényl]-1-éthoxy-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 605.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.2±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3715.00
ACD/KOC (pH 5.5): 12501.74
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3714.97
ACD/KOC (pH 7.4): 12501.62
Polar Surface Area: 98 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 321.0±5.0 cm3

Click to predict properties on the Chemicalize site


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